5-tert-butyl-1,2,3,3,4,4-hexafluorocyclopentene

C9H10F6 — CID 155054334

IUPAC5-tert-butyl-1,2,3,3,4,4-hexafluorocyclopentene
SMILESCC(C)(C)C1C(F)=C(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H10F6/c1-7(2,3)5-4(10)6(11)9(14,15)8(5,12)13/h5H,1-3H3
InChIKeyDZUVTWHRBJINIB-UHFFFAOYSA-N
MW232.17 g/mol
LogP4.08
Rot. Bonds

About 5-tert-butyl-1,2,3,3,4,4-hexafluorocyclopentene

5-tert-butyl-1,2,3,3,4,4-hexafluorocyclopentene (PubChem CID 155054334) has the molecular formula C9H10F6 and a molecular weight of 232.17 g/mol. Its IUPAC name is 5-tert-butyl-1,2,3,3,4,4-hexafluorocyclopentene.

Molecular Properties

Compound Name5-tert-butyl-1,2,3,3,4,4-hexafluorocyclopentene
PubChem CID155054334
Molecular FormulaC9H10F6
Molecular Weight232.17 g/mol
Exact Mass232.07
IUPAC Name5-tert-butyl-1,2,3,3,4,4-hexafluorocyclopentene
SMILESCC(C)(C)C1C(F)=C(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H10F6/c1-7(2,3)5-4(10)6(11)9(14,15)8(5,12)13/h5H,1-3H3
InChIKeyDZUVTWHRBJINIB-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 5-tert-butyl-1,2,3,3,4,4-hexafluorocyclopentene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2,3,3,4,4-hexafluorocyclopentene?
The IUPAC name of 5-tert-butyl-1,2,3,3,4,4-hexafluorocyclopentene (CID 155054334) is 5-tert-butyl-1,2,3,3,4,4-hexafluorocyclopentene.
What is the SMILES notation for 5-tert-butyl-1,2,3,3,4,4-hexafluorocyclopentene?
The canonical SMILES for 5-tert-butyl-1,2,3,3,4,4-hexafluorocyclopentene is CC(C)(C)C1C(F)=C(F)C(F)(F)C1(F)F.
What is the InChIKey of 5-tert-butyl-1,2,3,3,4,4-hexafluorocyclopentene?
The InChIKey is DZUVTWHRBJINIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6/c1-7(2,3)5-4(10)6(11)9(14,15)8(5,12)13/h5H,1-3H3.
What are the key properties of 5-tert-butyl-1,2,3,3,4,4-hexafluorocyclopentene?
5-tert-butyl-1,2,3,3,4,4-hexafluorocyclopentene has a molecular weight of 232.17 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2,3,3,4,4-hexafluorocyclopentene is sourced from PubChem (CID 155054334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).